UCSF

ZINC19788162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 12 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 2.33 -9.45 3 4 0 64 181.22 2
Mid Mid (pH 6-8) 1.05 2.15 -54.98 4 4 1 66 182.228 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )